N-(2-amino-1-phenylethyl)-5-methylfuran-3-carboxamide

C14H16N2O2 — CID 114823481

IUPACN-(2-amino-1-phenylethyl)-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC(CN)c2ccccc2)co1
InChIInChI=1S/C14H16N2O2/c1-10-7-12(9-18-10)14(17)16-13(8-15)11-5-3-2-4-6-11/h2-7,9,13H,8,15H2,1H3,(H,16,17)
InChIKeyYPEJJCLBQHCEPC-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.02
Rot. Bonds4

About N-(2-amino-1-phenylethyl)-5-methylfuran-3-carboxamide

N-(2-amino-1-phenylethyl)-5-methylfuran-3-carboxamide (PubChem CID 114823481) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(2-amino-1-phenylethyl)-5-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-phenylethyl)-5-methylfuran-3-carboxamide
PubChem CID114823481
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-(2-amino-1-phenylethyl)-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC(CN)c2ccccc2)co1
InChIInChI=1S/C14H16N2O2/c1-10-7-12(9-18-10)14(17)16-13(8-15)11-5-3-2-4-6-11/h2-7,9,13H,8,15H2,1H3,(H,16,17)
InChIKeyYPEJJCLBQHCEPC-UHFFFAOYSA-N
XLogP2.02
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-1-phenylethyl)carbamic acid
CID 66600321
N-(2-amino-1-phenylethyl)-2-methylpyrazole-3-carboxamide
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CID 114818581
N-(2-amino-1-phenylethyl)-4-hydroxy-2-methylbenzamide
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N-(2-amino-1-phenylethyl)-4-fluoro-3-methoxybenzamide
CID 81289414
N-(2-amino-1-phenylethyl)-2-hydroxybenzamide
CID 55242924
N-(2-amino-1-phenylethyl)-2,5-dihydroxybenzamide
CID 107726326
(2R)-2-(2-chlorophenyl)-2-[(5-methylfuran-3-carbonyl)amino]acetic acid
CID 107314767
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
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N-(2-amino-1-phenylethyl)naphthalene-1-carboxamide
CID 10424319
N-(1-amino-1-sulfanylidenepentan-2-yl)-5-methylfuran-3-carboxamide
CID 114820691

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-phenylethyl)-5-methylfuran-3-carboxamide?
The IUPAC name of N-(2-amino-1-phenylethyl)-5-methylfuran-3-carboxamide (CID 114823481) is N-(2-amino-1-phenylethyl)-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-(2-amino-1-phenylethyl)-5-methylfuran-3-carboxamide?
The canonical SMILES for N-(2-amino-1-phenylethyl)-5-methylfuran-3-carboxamide is Cc1cc(C(=O)NC(CN)c2ccccc2)co1.
What is the InChIKey of N-(2-amino-1-phenylethyl)-5-methylfuran-3-carboxamide?
The InChIKey is YPEJJCLBQHCEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10-7-12(9-18-10)14(17)16-13(8-15)11-5-3-2-4-6-11/h2-7,9,13H,8,15H2,1H3,(H,16,17).
What are the key properties of N-(2-amino-1-phenylethyl)-5-methylfuran-3-carboxamide?
N-(2-amino-1-phenylethyl)-5-methylfuran-3-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-phenylethyl)-5-methylfuran-3-carboxamide is sourced from PubChem (CID 114823481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).